methyl 2-phenyl-3-(pyrimidin-2-ylamino)propanedithioate

Systemtic Name: methyl 2-phenyl-3-(pyrimidin-2-ylamino)propanedithioate Openeye Name: methyl 2-phenyl-3-(pyrimidin-2-ylamino)propanedithioate CAS Name: 2-phenyl-3-(2-pyrimidinylamino)propanedithioic acid methyl ester IUPAC Name: methyl 2-phenyl-3-(pyrimidin-2-ylamino)propanedithioate Traditional Name: 2-phenyl-3-(2-pyrimidylamino)propanedithioic acid methyl ester Formula: C14H15N3S2 MolecularWeight: 289.419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)C(CNC1=NC=CC=N1)C2=CC=CC=C2

Isomeric SMILES

CSC(=S)C(CNC1=NC=CC=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3S2/c1-19-13(18)12(11-6-3-2-4-7-11)10-17-14-15-8-5-9-16-14/h2-9,12H,10H2,1H3,(H,15,16,17)